General Information of the Compound
| Compound ID |
CP0534631
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| Compound Name |
4-[3-(2,6-dichlorophenyl)sulfanyl-5-(4-methylpiperazine-1-carbonyl)indazol-1-yl]benzoic acid
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| Structure |
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| Formula |
C26H22Cl2N4O3S
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| Molecular Weight |
541.46
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| Canonical SMILES |
CN1CCN(CC1)C(=O)c1ccc2n(nc(Sc3c(Cl)cccc3Cl)c2c1)-c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C26H22Cl2N4O3S/c1-30-11-13-31(14-12-30)25(33)17-7-10-22-19(15-17)24(36-23-20(27)3-2-4-21(23)28)29-32(22)18-8-5-16(6-9-18)26(34)35/h2-10,15H,11-14H2,1H3,(H,34,35)
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| InChIKey |
GFHGOBSAWUNQHX-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02663, Nuclear receptor ROR-gamma
Protein ID: PT01806, Retinoic acid receptor gamma